2G8E
Calpain 1 proteolytic core in complex with SNJ-1715, a cyclic hemiacetal-type inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-05-06 |
Detector | MARRESEARCH |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 85.542, 85.542, 117.946 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.570 - 2.250 |
R-factor | 0.181 |
Rwork | 0.177 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kxr CHAIN A |
RMSD bond length | 0.020 |
RMSD bond angle | 1.753 |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.570 | 2.350 |
High resolution limit [Å] | 2.249 | 2.230 |
Rmerge | 0.084 | 0.364 |
Number of reflections | 21383 | |
<I/σ(I)> | 7.9 | 2 |
Completeness [%] | 96.7 | 96.7 |
Redundancy | 7.6 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.25 | 298 | 1.4 M NaCl, 10 mM CaCl2, 0.1 M MES, pH 6.25, VAPOR DIFFUSION, HANGING DROP, temperature 298K |